Found 131 results

Search term: C36H41N3O6 (Found by molecular formula)
ChemSpider 2D Image | Ethyl N-({4-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-({methyl[(1R)-1-(2-naphthyl)ethyl]amino}methyl)-1,3-dioxan-2-yl]phenyl}carbamoyl)glycinate | C36H41N3O6

Ethyl N-({4-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-({methyl[(1R)-1-(2-naphthyl)ethyl]amino}methyl)-1,3-dioxan-2-yl]phenyl}carbamoyl)glycinate

  • Molecular FormulaC36H41N3O6
  • Average mass611.727 Da
  • Monoisotopic mass611.299561 Da
  • ChemSpider ID5139177

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Ethyl N-({4-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-({methyl[(1R)-1-(2-naphthyl)ethyl]amino}methyl)-1,3-dioxan-2-yl]phenyl}carbamoyl)glycinate [ACD/IUPAC Name]
Ethyl-N-({4-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-({methyl[(1R)-1-(2-naphthyl)ethyl]amino}methyl)-1,3-dioxan-2-yl]phenyl}carbamoyl)glycinat [German] [ACD/IUPAC Name]
Glycine, N-[[[4-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-[[methyl[(1R)-1-(2-naphthalenyl)ethyl]amino]methyl]-1,3-dioxan-2-yl]phenyl]amino]carbonyl]-, ethyl ester [ACD/Index Name]
N-({4-[(2S,4R,6S)-4-[4-(Hydroxyméthyl)phényl]-6-({méthyl[(1R)-1-(2-naphtyl)éthyl]amino}méthyl)-1,3-dioxan-2-yl]phényl}carbamoyl)glycinate d'éthyle [French] [ACD/IUPAC Name]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DIOX2_026054 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 748.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 406.5±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 175.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 44.25
ACD/KOC (pH 5.5): 126.63
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2119.05
ACD/KOC (pH 7.4): 6063.84
Polar Surface Area: 109 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 499.0±3.0 cm3

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